2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine

C8H18N2S2 — CID 20776934

IUPAC2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine
SMILESNCCSC1CC(SCCN)C1
InChIInChI=1S/C8H18N2S2/c9-1-3-11-7-5-8(6-7)12-4-2-10/h7-8H,1-6,9-10H2
InChIKeyCPGIOAVAILXAIO-UHFFFAOYSA-N
MW206.38 g/mol
LogP0.90
Rot. Bonds6

About 2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine

2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine (PubChem CID 20776934) has the molecular formula C8H18N2S2 and a molecular weight of 206.38 g/mol. Its IUPAC name is 2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine
PubChem CID20776934
Molecular FormulaC8H18N2S2
Molecular Weight206.38 g/mol
Exact Mass206.09
IUPAC Name2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine
SMILESNCCSC1CC(SCCN)C1
InChIInChI=1S/C8H18N2S2/c9-1-3-11-7-5-8(6-7)12-4-2-10/h7-8H,1-6,9-10H2
InChIKeyCPGIOAVAILXAIO-UHFFFAOYSA-N
XLogP0.90
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropylsulfanylethanamine
CID 58684646
2-cyclopentylsulfanylethanamine
CID 23401603
2-aminoethanethiol;2-cyclobutylsulfanylethanamine;iodocyclobutane
CID 158701995
2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine
CID 79905629
2-(2-aminoethylsulfanyl)cyclopentan-1-amine
CID 80662216
4-(3-aminopropylsulfanyl)cyclohexan-1-amine
CID 66219977
5-(3-methylcyclohexyl)sulfanylpentan-1-amine
CID 62721729
2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine
CID 19790328
2-(2-aminoethyldisulfanyl)ethanamine
CID 2915
tert-butyl 3-(2-aminoethylsulfanyl)pyrrolidine-1-carboxylate
CID 66564533
3-(3-methoxycyclohexyl)sulfanylpropan-1-amine
CID 66219282
2-aminoethyl thiohypochlorite
CID 87121538

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine?
The IUPAC name of 2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine (CID 20776934) is 2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine.
What is the SMILES notation for 2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine?
The canonical SMILES for 2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine is NCCSC1CC(SCCN)C1.
What is the InChIKey of 2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine?
The InChIKey is CPGIOAVAILXAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S2/c9-1-3-11-7-5-8(6-7)12-4-2-10/h7-8H,1-6,9-10H2.
What are the key properties of 2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine?
2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine has a molecular weight of 206.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethylsulfanyl)cyclobutyl]sulfanylethanamine is sourced from PubChem (CID 20776934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).